CID 215092

34927-69-0

Structural Information

Molecular Formula

C₁₅H₂₀N₂S

SMILES

CC1=CC=C(C=C1)N2C(=CC(N=C2SC)(C)C)C

InChI

InChI=1S/C15H20N2S/c1-11-6-8-13(9-7-11)17-12(2)10-15(3,4)16-14(17)18-5/h6-10H,1-5H3

InChIKey

UUYXFEWQHLDNMK-UHFFFAOYSA-N

Compound name

4,4,6-trimethyl-1-(4-methylphenyl)-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.1347 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.14198	157.5
[M+Na]+	283.12392	167.8
[M-H]-	259.12742	162.4
[M+NH4]+	278.16852	175.3
[M+K]+	299.09786	163.1
[M+H-H2O]+	243.13196	150.0
[M+HCOO]-	305.13290	172.5
[M+CH3COO]-	319.14855	197.8
[M+Na-2H]-	281.10937	159.6
[M]+	260.13415	160.7
[M]-	260.13525	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.